2-[(2E,4Z)-hexa-2,4-dien-3-yl]-1H-indole

C14H15N — CID 155367147

IUPAC2-[(2E,4Z)-hexa-2,4-dien-3-yl]-1H-indole
SMILESC/C=C\C(=C/C)c1cc2ccccc2[nH]1
InChIInChI=1S/C14H15N/c1-3-7-11(4-2)14-10-12-8-5-6-9-13(12)15-14/h3-10,15H,1-2H3/b7-3-,11-4+
InChIKeyWBLZIEKYOHEKFZ-VGQHJLIWSA-N
MW197.28 g/mol
LogP4.15
Rot. Bonds2

About 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-1H-indole

2-[(2E,4Z)-hexa-2,4-dien-3-yl]-1H-indole (PubChem CID 155367147) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-1H-indole.

Molecular Properties

Compound Name2-[(2E,4Z)-hexa-2,4-dien-3-yl]-1H-indole
PubChem CID155367147
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name2-[(2E,4Z)-hexa-2,4-dien-3-yl]-1H-indole
SMILESC/C=C\C(=C/C)c1cc2ccccc2[nH]1
InChIInChI=1S/C14H15N/c1-3-7-11(4-2)14-10-12-8-5-6-9-13(12)15-14/h3-10,15H,1-2H3/b7-3-,11-4+
InChIKeyWBLZIEKYOHEKFZ-VGQHJLIWSA-N
XLogP4.15
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4Z)-3-(1H-indol-2-yl)hexa-2,4-dien-2-amine
CID 167244091
ethane;1H-indole-2-carboxylic acid
CID 91052830
(E)-N-[(Z)-4-cyano-4-(1H-indol-2-yl)but-3-enyl]-N-methylbut-2-enamide
CID 11022736
CID 58100929
CID 58100929
(E)-4-(1H-indol-2-yl)-4-oxobut-2-enoic acid
CID 12618365
2-[2-(1H-indol-2-yl)-1,2-diphenylethenyl]-1H-indole
CID 141243954
1H-indole-2-carbothioic S-acid
CID 4713092
2-[(Z)-2,5-dimethylhex-3-en-3-yl]-1H-indole
CID 134967037
2-but-1-en-2-yl-1H-indole
CID 23105124
N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 115627991
N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 43421002
2,5-bis(1H-indole-2-carbonyl)terephthalic acid
CID 70529357

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-1H-indole?
The IUPAC name of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-1H-indole (CID 155367147) is 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-1H-indole.
What is the SMILES notation for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-1H-indole?
The canonical SMILES for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-1H-indole is C/C=C\C(=C/C)c1cc2ccccc2[nH]1.
What is the InChIKey of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-1H-indole?
The InChIKey is WBLZIEKYOHEKFZ-VGQHJLIWSA-N. The full InChI is InChI=1S/C14H15N/c1-3-7-11(4-2)14-10-12-8-5-6-9-13(12)15-14/h3-10,15H,1-2H3/b7-3-,11-4+.
What are the key properties of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-1H-indole?
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-1H-indole has a molecular weight of 197.28 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-1H-indole is sourced from PubChem (CID 155367147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).